[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate

C24H32N2O6 — CID 141260838

IUPAC[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate
SMILESCOC(OC(=O)NCCCCCCNC(=O)OC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O6/c1-29-21(19-13-7-5-8-14-19)31-23(27)25-17-11-3-4-12-18-26-24(28)32-22(30-2)20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCPTVKBDNHGWVEE-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.69
Rot. Bonds13

About [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate

[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate (PubChem CID 141260838) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate
PubChem CID141260838
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate
SMILESCOC(OC(=O)NCCCCCCNC(=O)OC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O6/c1-29-21(19-13-7-5-8-14-19)31-23(27)25-17-11-3-4-12-18-26-24(28)32-22(30-2)20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCPTVKBDNHGWVEE-UHFFFAOYSA-N
XLogP4.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
[(1R,2S)-2-(2-hexyldecanoylamino)-1-phenylpropyl] N-heptadecylcarbamate
CID 101078877
[(1R,2S)-2-(dodecanoylamino)-1-phenylpropyl] N-butylcarbamate
CID 101078873
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
N-dodecyl-2,2-diphenylacetamide
CID 5143289
methane;3-(1-phenylhexoxycarbonylamino)propane-1-sulfonic acid
CID 158840357
3-methoxy-3-phenylpropanoic acid
CID 13379217
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631

Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate?
The IUPAC name of [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate (CID 141260838) is [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate.
What is the SMILES notation for [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate?
The canonical SMILES for [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate is COC(OC(=O)NCCCCCCNC(=O)OC(OC)c1ccccc1)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate?
The InChIKey is CPTVKBDNHGWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6/c1-29-21(19-13-7-5-8-14-19)31-23(27)25-17-11-3-4-12-18-26-24(28)32-22(30-2)20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate?
[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate has a molecular weight of 444.53 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate is sourced from PubChem (CID 141260838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).